methyl 3-butyl-4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-2-anilino-1-methyl-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(2R)-1-anilino-1-oxopropan-2-yl]thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-anilino-1-oxopropan-2-yl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-2-anilino-2-keto-1-methyl-ethyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@H](C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-4-5-13-26-21(28)18-12-11-16(22(29)30-3)14-19(18)25-23(26)31-15(2)20(27)24-17-9-7-6-8-10-17/h6-12,14-15H,4-5,13H2,1-3H3,(H,24,27)/t15-/m1/s1