methyl 2-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C26H25N3O5S/c1-4-17-7-10-19(11-8-17)27-23(30)16(2)35-26-28-22-14-18(25(32)33-3)9-12-21(22)24(31)29(26)15-20-6-5-13-34-20/h5-14,16H,4,15H2,1-3H3,(H,27,30)/t16-/m0/s1