[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] (3S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] (3S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylate CAS Name: (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Traditional Name: (3S,7aS)-5-keto-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylic acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@]12CCC(=O)N1[C@H](CS2)C(=O)OCC(=O)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H26N2O5S/c1-20(2,3)14-7-5-13(6-8-14)18(26)22-16(24)11-28-19(27)15-12-29-21(4)10-9-17(25)23(15)21/h5-8,15H,9-12H2,1-4H3,(H,22,24,26)/t15-,21+/m1/s1