methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-3-methoxy-propanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-3-methoxy-propanoate Openeye Name: methyl 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-3-methoxy-propanoate CAS Name: 2-[[(4-bromo-2-thiophen-2-ylphenyl)-oxomethyl]amino]-3-methoxypropanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-thiophen-2-ylbenzoyl)amino]-3-methoxypropanoate Traditional Name: 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-3-methoxy-propionic acid methyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CS2

Isomeric SMILES

COCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CS2

InChI

InChI=1S/C16H16BrNO4S/c1-21-9-13(16(20)22-2)18-15(19)11-6-5-10(17)8-12(11)14-4-3-7-23-14/h3-8,13H,9H2,1-2H3,(H,18,19)