methyl 3-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)SCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)SCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H21N3O3S/c1-12-15-8-3-4-9-16(15)22-19(20-12)26-11-17(23)21-14-7-5-6-13(10-14)18(24)25-2/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,23)