(phenylmethyl) 4-[5-(2-azanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-3-yl]piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(2-azanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-3-yl]piperidine-3-carboxylate Openeye Name: benzyl 4-[5-[(2-aminoacetyl)amino]-4-(2-chlorobenzoyl)-3-thienyl]piperidine-3-carboxylate CAS Name: 4-[5-[(2-amino-1-oxoethyl)amino]-4-[(2-chlorophenyl)-oxomethyl]-3-thiophenyl]-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[(2-aminoacetyl)amino]-4-(2-chlorobenzoyl)thiophen-3-yl]piperidine-3-carboxylate Traditional Name: 4-[4-(2-chlorobenzoyl)-5-(glycylamino)-3-thienyl]nipecotic acid benzyl ester Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CSC(=C2C(=O)C3=CC=CC=C3Cl)NC(=O)CN)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CNCC(C1C2=CSC(=C2C(=O)C3=CC=CC=C3Cl)NC(=O)CN)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26ClN3O4S/c27-21-9-5-4-8-18(21)24(32)23-20(15-35-25(23)30-22(31)12-28)17-10-11-29-13-19(17)26(33)34-14-16-6-2-1-3-7-16/h1-9,15,17,19,29H,10-14,28H2,(H,30,31)