ethyl 4-cyclopropyl-2-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C23H23N3O4S2/c1-3-11-26-21(28)15-7-5-6-8-17(15)24-23(26)32-13-18(27)25-20-19(22(29)30-4-2)16(12-31-20)14-9-10-14/h3,5-8,12,14H,1,4,9-11,13H2,2H3,(H,25,27)