ethyl 2-[2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H27N3O4S2 MolecularWeight: 569.69378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C31H27N3O4S2/c1-4-38-30(37)24-17-26(21-10-6-5-7-11-21)40-28(24)33-27(35)18-39-31-32-25-13-9-8-12-23(25)29(36)34(31)22-15-14-19(2)20(3)16-22/h5-17H,4,18H2,1-3H3,(H,33,35)