4-[(E)-2-cyano-3-oxidanylidene-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-oxo-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-3-keto-prop-1-enyl]benzoic acid Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H17N3O3S2/c1-12(2)24(16-7-8-17-18(10-16)29-21(28)23-17)19(25)15(11-22)9-13-3-5-14(6-4-13)20(26)27/h3-10,12H,1-2H3,(H,23,28)(H,26,27)/b15-9+