2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxidanylidene-3-phenylazanyl-propanoate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxidanylidene-3-phenylazanyl-propanoate Openeye Name: 3-anilino-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxo-propanoate CAS Name: 3-anilino-2-[(1,3-benzothiazol-2-ylthio)methyl]-3-oxopropanoate IUPAC Name: 3-anilino-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxopropanoate Traditional Name: 3-anilino-2-[(1,3-benzothiazol-2-ylthio)methyl]-3-keto-propionate Formula: C17H13N2O3S2- MolecularWeight: 357.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CSC2=NC3=CC=CC=C3S2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(CSC2=NC3=CC=CC=C3S2)C(=O)[O-]

InChI

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