methyl 3-chloranyl-6-[(3,4,5-trimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3,4,5-trimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3,4,5-trimethoxyphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[sulfanylidene-(3,4,5-trimethoxyanilino)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3,4,5-trimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3,4,5-trimethoxyphenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19ClN2O5S2 MolecularWeight: 466.95826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C20H19ClN2O5S2/c1-25-13-7-11(8-14(26-2)17(13)27-3)23-20(29)22-10-5-6-12-15(9-10)30-18(16(12)21)19(24)28-4/h5-9H,1-4H3,(H2,22,23,29)