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

Systemtic Name: methyl 2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(2S)-2-methylindoline-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2S)-2-methyl-2,3-dihydroindol-1-yl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-methylindoline-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H20N2O2S2/c1-14-12-16-10-6-7-11-18(16)24(14)22(27)23-20-17(21(25)26-2)13-19(28-20)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,23,27)/t14-/m0/s1