methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[(2-methylthiazol-4-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-2-[(2-methyl-4-thiazolyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-4-keto-2-[(2-methylthiazol-4-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)O

Isomeric SMILES

CC1=NC(=CS1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C[C@H](C)O

InChI

InChI=1S/C18H19N3O4S2/c1-10(22)7-21-16(23)14-5-4-12(17(24)25-3)6-15(14)20-18(21)27-9-13-8-26-11(2)19-13/h4-6,8,10,22H,7,9H2,1-3H3/t10-/m0/s1