methyl 2-[(2-methyl-2,3-dihydroindol-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methyl-2,3-dihydroindol-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2-methylindoline-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(2-methyl-2,3-dihydroindol-1-yl)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-methyl-2,3-dihydroindole-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-methylindoline-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H22N2O2S2/c1-15-12-17-10-6-7-11-20(17)25(15)23(28)24-21-19(22(26)27-2)14-18(29-21)13-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,24,28)