methyl 3-[[2-(4-cyanophenyl)carbonylimino-4-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]carbonyl-ethyl-amino]propanoate

Systemtic Name: methyl 3-[[2-(4-cyanophenyl)carbonylimino-4-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]carbonyl-ethyl-amino]propanoate Openeye Name: methyl 3-[[2-(4-cyanobenzoyl)imino-4-methyl-3-(1-naphthylmethyl)thiazole-5-carbonyl]-ethyl-amino]propanoate CAS Name: 3-[[[2-[(4-cyanophenyl)-oxomethyl]imino-4-methyl-3-(1-naphthalenylmethyl)-5-thiazolyl]-oxomethyl]-ethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyanobenzoyl)imino-4-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carbonyl]-ethylamino]propanoate Traditional Name: 3-[[2-(4-cyanobenzoyl)imino-4-methyl-3-(1-naphthylmethyl)-4-thiazoline-5-carbonyl]-ethyl-amino]propionic acid methyl ester Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OC)C(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)C#N)S1)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCN(CCC(=O)OC)C(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)C#N)S1)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C30H28N4O4S/c1-4-33(17-16-26(35)38-3)29(37)27-20(2)34(19-24-10-7-9-22-8-5-6-11-25(22)24)30(39-27)32-28(36)23-14-12-21(18-31)13-15-23/h5-15H,4,16-17,19H2,1-3H3