ethyl (3S,4S)-2-oxidanylidene-4-thiophen-2-yl-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl (3S,4S)-2-oxidanylidene-4-thiophen-2-yl-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl (3S,4S)-2-oxo-4-(2-thienyl)-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (3S,4S)-2-oxo-4-thiophen-2-yl-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-2-oxo-4-thiophen-2-yl-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (3S,4S)-2-keto-4-(2-thienyl)-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N2C3=CC=CC=C3NC2=NC1=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N2C3=CC=CC=C3NC2=NC1=O)C4=CC=CS4

InChI

InChI=1S/C17H15N3O3S/c1-2-23-16(22)13-14(12-8-5-9-24-12)20-11-7-4-3-6-10(11)18-17(20)19-15(13)21/h3-9,13-14H,2H2,1H3,(H,18,19,21)/t13-,14+/m0/s1