ethyl 2-[2-(2-cyclopropylquinazolin-4-yl)sulfanylethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-cyclopropylquinazolin-4-yl)sulfanylethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-2-[[2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(2-cyclopropylquinazolin-4-yl)thio]acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H26N4O4S2 MolecularWeight: 546.66044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C28H26N4O4S2/c1-3-36-28(35)22-16(2)23(25(34)29-18-9-5-4-6-10-18)38-27(22)31-21(33)15-37-26-19-11-7-8-12-20(19)30-24(32-26)17-13-14-17/h4-12,17H,3,13-15H2,1-2H3,(H,29,34)(H,31,33)