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

Systemtic Name: methyl 3-chloranyl-6-[1-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[1-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[1-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[1-(3,4-dimethoxyphenyl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H21ClN2O4S2 MolecularWeight: 464.98544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4S2/c1-11(12-5-8-15(26-2)16(9-12)27-3)23-21(29)24-13-6-7-14-17(10-13)30-19(18(14)22)20(25)28-4/h5-11H,1-4H3,(H2,23,24,29)