4-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-keto-butyrate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H14N2O3S/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/h1-8H,9-10H2,(H,18,20)(H,21,22)/p-1