methyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C17H14N2O3S2 MolecularWeight: 358.43466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H14N2O3S2/c1-22-16(21)11-6-8-12(9-7-11)18-15(20)10-23-17-19-13-4-2-3-5-14(13)24-17/h2-9H,10H2,1H3,(H,18,20)