methyl 3-[[3-chloranyl-5-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[3-chloranyl-5-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(3-chloro-4-isopentyloxy-5-methoxy-benzoyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(3-chloro-4-isoamoxy-5-methoxy-benzoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H26ClNO5S MolecularWeight: 439.95284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NC(CC(=O)OC)C2=CC=CS2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NC(CC(=O)OC)C2=CC=CS2)OC

InChI

InChI=1S/C21H26ClNO5S/c1-13(2)7-8-28-20-15(22)10-14(11-17(20)26-3)21(25)23-16(12-19(24)27-4)18-6-5-9-29-18/h5-6,9-11,13,16H,7-8,12H2,1-4H3,(H,23,25)