methyl 3-[2-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCCC3

InChI

InChI=1S/C18H19N3O4S/c1-25-17(24)11-5-4-6-12(9-11)19-15(22)10-26-18-20-14-8-3-2-7-13(14)16(23)21-18/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,22)(H,20,21,23)