2-[2-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-keto-ethyl]thio]acetic acid Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSCC(=O)O

InChI

InChI=1S/C17H14N2O3S2/c20-15(9-23-10-16(21)22)18-12-7-5-11(6-8-12)17-19-13-3-1-2-4-14(13)24-17/h1-8H,9-10H2,(H,18,20)(H,21,22)