[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(SN=C2C)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(SN=C2C)N

InChI

InChI=1S/C18H21N3O5S/c1-3-4-9-25-17(23)12-5-7-13(8-6-12)20-14(22)10-26-18(24)15-11(2)21-27-16(15)19/h5-8H,3-4,9-10,19H2,1-2H3,(H,20,22)