methyl N-[(2R)-2-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]carbamate CAS Name: N-[(2R)-2-[[3-(2-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]carbamate Traditional Name: N-[(2R)-2-[[3-(2-ethylphenyl)-4-keto-quinazolin-2-yl]thio]propanoyl]carbamic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-4-14-9-5-8-12-17(14)24-19(26)15-10-6-7-11-16(15)22-20(24)29-13(2)18(25)23-21(27)28-3/h5-13H,4H2,1-3H3,(H,23,25,27)/t13-/m1/s1