methyl 3-[4-oxidanylidene-2-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-(2-anilino-1-methyl-2-oxo-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(1-anilino-1-oxopropan-2-yl)thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1-anilino-1-oxopropan-2-yl)sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(2-anilino-2-keto-1-methyl-ethyl)thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-14(19(26)22-15-8-4-3-5-9-15)29-21-23-17-11-7-6-10-16(17)20(27)24(21)13-12-18(25)28-2/h3-11,14H,12-13H2,1-2H3,(H,22,26)