methyl 3-[(2-butyl-4-methyl-1,3-thiazol-5-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[(2-butyl-4-methyl-1,3-thiazol-5-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[(2-butyl-4-methyl-thiazole-5-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[(2-butyl-4-methyl-5-thiazolyl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[(2-butyl-4-methyl-thiazole-5-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(S1)C(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCCCC1=NC(=C(S1)C(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H28N2O5S/c1-6-7-8-18-22-13(2)20(29-18)21(25)23-15(12-19(24)28-5)14-9-10-16(26-3)17(11-14)27-4/h9-11,15H,6-8,12H2,1-5H3,(H,23,25)