ethyl 3-(4-ethoxycarbonylpiperazin-1-yl)-5-[(phenylmethyl)amino]-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-(4-ethoxycarbonylpiperazin-1-yl)-5-[(phenylmethyl)amino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-(benzylamino)-3-(4-ethoxycarbonylpiperazin-1-yl)isothiazole-4-carboxylate CAS Name: 3-(4-ethoxycarbonyl-1-piperazinyl)-5-[(phenylmethyl)amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-3-(4-ethoxycarbonylpiperazin-1-yl)-1,2-thiazole-4-carboxylate Traditional Name: 5-(benzylamino)-3-(4-carbethoxypiperazino)isothiazole-4-carboxylic acid ethyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1N2CCN(CC2)C(=O)OCC)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SN=C1N2CCN(CC2)C(=O)OCC)NCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c1-3-27-19(25)16-17(23-10-12-24(13-11-23)20(26)28-4-2)22-29-18(16)21-14-15-8-6-5-7-9-15/h5-9,21H,3-4,10-14H2,1-2H3