ethyl 2-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H29N3O4S2/c1-4-6-16-31-26(33)20-14-10-11-15-22(20)29-28(31)36-18(3)24(32)30-25-21(27(34)35-5-2)17-23(37-25)19-12-8-7-9-13-19/h7-15,17-18H,4-6,16H2,1-3H3,(H,30,32)