ethyl 2-[[4-[(3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazolin-7-yl)carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[(3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazolin-7-yl)carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[(3-methyl-2-methylsulfanyl-4-oxo-quinazoline-7-carbonyl)amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[[3-methyl-2-(methylthio)-4-oxo-7-quinazolinyl]-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3-methyl-2-methylsulfanyl-4-oxoquinazoline-7-carbonyl)amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[4-keto-3-methyl-2-(methylthio)quinazoline-7-carbonyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SC)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SC)C

InChI

InChI=1S/C28H33N5O5S/c1-4-38-25(36)22(16-18-8-6-5-7-9-18)30-26(37)28(12-14-29-15-13-28)32-23(34)19-10-11-20-21(17-19)31-27(39-3)33(2)24(20)35/h5-11,17,22,29H,4,12-16H2,1-3H3,(H,30,37)(H,32,34)