methyl 2-(2-acetamidoethylsulfanyl)-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-acetamidoethylsulfanyl)-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(2-acetamidoethylsulfanyl)-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(2-acetamidoethylthio)-3-[(2R)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-acetamidoethylsulfanyl)-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(2-acetamidoethylthio)-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCNC(=O)C)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCNC(=O)C)O

InChI

InChI=1S/C17H21N3O5S/c1-10(21)9-20-15(23)13-5-4-12(16(24)25-3)8-14(13)19-17(20)26-7-6-18-11(2)22/h4-5,8,10,21H,6-7,9H2,1-3H3,(H,18,22)/t10-/m1/s1