methyl 3-chloranyl-6-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(5-methoxycarbonyl-2-methylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(5-methoxycarbonyl-2-methylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 6-[(5-carbomethoxy-2-methyl-phenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C20H17ClN2O4S2/c1-10-4-5-11(18(24)26-2)8-14(10)23-20(28)22-12-6-7-13-15(9-12)29-17(16(13)21)19(25)27-3/h4-9H,1-3H3,(H2,22,23,28)