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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(2,3-dihydroindol-1-ylcarbothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(indoline-1-carbothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(2,3-dihydroindole-1-carbothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(indoline-1-carbothioylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C21H25N3O3S2/c1-5-23(6-2)19(25)17-13(3)16(20(26)27-4)18(29-17)22-21(28)24-12-11-14-9-7-8-10-15(14)24/h7-10H,5-6,11-12H2,1-4H3,(H,22,28)