(5-ethoxycarbonyl-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 1H-indole-2-carboxylate

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 1H-indole-2-carboxylate Openeye Name: [5-ethoxycarbonyl-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl 1H-indole-2-carboxylate CAS Name: 1H-indole-2-carboxylic acid (5-ethoxycarbonyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 1H-indole-2-carboxylate Traditional Name: 1H-indole-2-carboxylic acid [5-carbethoxy-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3O5S/c1-2-28-20(26)17-15(23-21(27)24-18(17)16-8-5-9-30-16)11-29-19(25)14-10-12-6-3-4-7-13(12)22-14/h3-10,18,22H,2,11H2,1H3,(H2,23,24,27)