[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H25N3O3S/c1-13(2)8-9-21-20-23-17(12-27-20)19(25)26-11-18(24)22-16-7-6-14-4-3-5-15(14)10-16/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H,21,23)(H,22,24)