4-[[4-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxidanylidene-cyclobuten-1-yl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[4-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxidanylidene-cyclobuten-1-yl]-methyl-amino]butanoic acid Openeye Name: 4-[[4-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxo-cyclobuten-1-yl]-methyl-amino]butanoic acid CAS Name: 4-[[4-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxo-1-cyclobutenyl]-methylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-oxocyclobuten-1-yl]-methylamino]butanoic acid Traditional Name: 4-[[4-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-keto-cyclobuten-1-yl]-methyl-amino]butyric acid Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3C(=C(C3=O)C=C4N(C5=CC=CC=C5S4)CC)N(C)CCCC(=O)O

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C3C(=C(C3=O)/C=C\4/N(C5=CC=CC=C5S4)CC)N(C)CCCC(=O)O

InChI

InChI=1S/C29H31N3O3S2/c1-4-31-21-11-6-8-13-23(21)36-25(31)17-19-28(30(3)16-10-15-27(33)34)20(29(19)35)18-26-32(5-2)22-12-7-9-14-24(22)37-26/h6-9,11-14,17-19H,4-5,10,15-16H2,1-3H3,(H,33,34)/b25-17+,26-18-