ethyl 7-[[4-methyl-2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-heptanoate

Systemtic Name: ethyl 7-[[4-methyl-2-[(phenylmethyl)carbamoylamino]-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-heptanoate Openeye Name: ethyl 7-[[2-(benzylcarbamoylamino)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-heptanoate CAS Name: 7-[[[4-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-5-thiazolyl]-oxomethyl]amino]-3-phenylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[[2-(benzylcarbamoylamino)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylheptanoate Traditional Name: 7-[[2-(benzylcarbamoylamino)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-enanthic acid ethyl ester Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCCNC(=O)C1=C(N=C(S1)NC(=O)NCC2=CC=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(CCCCNC(=O)C1=C(N=C(S1)NC(=O)NCC2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C28H34N4O4S/c1-3-36-24(33)18-23(22-14-8-5-9-15-22)16-10-11-17-29-26(34)25-20(2)31-28(37-25)32-27(35)30-19-21-12-6-4-7-13-21/h4-9,12-15,23H,3,10-11,16-19H2,1-2H3,(H,29,34)(H2,30,31,32,35)