methyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C17H13ClN2O3S2 MolecularWeight: 392.87972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O3S2/c1-23-16(22)11-8-10(6-7-12(11)18)19-15(21)9-24-17-20-13-4-2-3-5-14(13)25-17/h2-8H,9H2,1H3,(H,19,21)