4-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxo-but-2-enoate CAS Name: 4-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxo-2-butenoate IUPAC Name: 4-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobut-2-enoate Traditional Name: 4-keto-4-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]but-2-enoate Formula: C18H13N2O3S- MolecularWeight: 337.37242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C=CC(=O)[O-]

InChI

InChI=1S/C18H14N2O3S/c1-11-2-7-15-14(10-11)20-18(24-15)12-3-5-13(6-4-12)19-16(21)8-9-17(22)23/h2-10H,1H3,(H,19,21)(H,22,23)/p-1