methyl 3-chloranyl-6-[2-(2-methoxyphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[2-(2-methoxyphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(2-methoxyphenyl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(2-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-(2-methoxyphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-(2-methoxyphenyl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19ClN2O3S2 MolecularWeight: 434.95946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=CC=C1CCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C20H19ClN2O3S2/c1-25-15-6-4-3-5-12(15)9-10-22-20(27)23-13-7-8-14-16(11-13)28-18(17(14)21)19(24)26-2/h3-8,11H,9-10H2,1-2H3,(H2,22,23,27)