methyl 3-chloranyl-6-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(4-methoxyphenyl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-(4-methoxyphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-(4-methoxyphenyl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19ClN2O3S2 MolecularWeight: 434.95946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

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