(E)-4-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(1,3-benzothiazol-2-yl)anilino]-4-keto-but-2-enoic acid Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O3S/c20-15(9-10-16(21)22)18-12-7-5-11(6-8-12)17-19-13-3-1-2-4-14(13)23-17/h1-10H,(H,18,20)(H,21,22)/b10-9+