4-oxidanylidene-4-[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]butanoic acid Openeye Name: 4-[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]amino]butanoic acid IUPAC Name: 4-[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(benzylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H16N2O3S2/c21-16(8-9-17(22)23)19-13-6-7-14-15(10-13)25-18(20-14)24-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,21)(H,22,23)