[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C17H17BrN2O4S MolecularWeight: 425.29688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCNC(=O)C2=CC=CS2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCNC(=O)C2=CC=CS2)Br

InChI

InChI=1S/C17H17BrN2O4S/c1-11-9-12(4-5-13(11)18)20-15(21)10-24-16(22)6-7-19-17(23)14-3-2-8-25-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,23)(H,20,21)