methyl 3-chloranyl-6-[(2-methyl-2,3-dihydroindol-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methyl-2,3-dihydroindol-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methylindoline-1-carbothioyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-methyl-2,3-dihydroindol-1-yl)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methyl-2,3-dihydroindole-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-methylindoline-1-carbothioyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C20H17ClN2O2S2/c1-11-9-12-5-3-4-6-15(12)23(11)20(26)22-13-7-8-14-16(10-13)27-18(17(14)21)19(24)25-2/h3-8,10-11H,9H2,1-2H3,(H,22,26)