methyl 3-chloranyl-6-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-isopropoxycarbonylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S2/c1-11(2)28-19(25)12-4-6-13(7-5-12)23-21(29)24-14-8-9-15-16(10-14)30-18(17(15)22)20(26)27-3/h4-11H,1-3H3,(H2,23,24,29)