methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydroindol-1-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(indoline-1-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydroindole-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(indoline-1-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4

InChI

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