[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H16BrNO4S/c1-11-2-7-15(24-11)14(20)10-23-16(21)8-9-19-17(22)12-3-5-13(18)6-4-12/h2-7H,8-10H2,1H3,(H,19,22)