ethyl 5-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)C

InChI

InChI=1S/C21H21N3O4S2/c1-3-28-20(27)18-12(2)10-17(30-18)23-16(25)11-29-21-22-15-7-5-4-6-14(15)19(26)24(21)13-8-9-13/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,23,25)