methyl 3-chloranyl-6-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(indan-5-ylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(indan-5-ylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC4=C(CCC4)C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC4=C(CCC4)C=C3)Cl

InChI

InChI=1S/C20H17ClN2O2S2/c1-25-19(24)18-17(21)15-8-7-14(10-16(15)27-18)23-20(26)22-13-6-5-11-3-2-4-12(11)9-13/h5-10H,2-4H2,1H3,(H2,22,23,26)