methyl 6-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]amino]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]carbamoyl]nicotinic acid methyl ester Formula: C21H17N3O3S3 MolecularWeight: 455.57298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C21H17N3O3S3/c1-27-20(26)14-2-4-17(22-11-14)19(25)23-15-3-5-16-18(10-15)30-21(24-16)29-9-7-13-6-8-28-12-13/h2-6,8,10-12H,7,9H2,1H3,(H,23,25)