[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-[(4-morpholinosulfonylphenyl)methylamino]-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-keto-2-[(4-morpholinosulfonylbenzyl)amino]ethyl] ester Formula: C22H30N4O6S2 MolecularWeight: 510.6268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H30N4O6S2/c1-16(2)7-8-23-22-25-19(15-33-22)21(28)32-14-20(27)24-13-17-3-5-18(6-4-17)34(29,30)26-9-11-31-12-10-26/h3-6,15-16H,7-14H2,1-2H3,(H,23,25)(H,24,27)