methyl 3-chloranyl-6-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methoxycarbonyl-3-thienyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2-methoxycarbonyl-3-thiophenyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 6-[(2-carbomethoxy-3-thienyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H13ClN2O4S3 MolecularWeight: 440.94412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H13ClN2O4S3/c1-23-15(21)13-10(5-6-26-13)20-17(25)19-8-3-4-9-11(7-8)27-14(12(9)18)16(22)24-2/h3-7H,1-2H3,(H2,19,20,25)