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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C18H19BrN2O4S/c1-12-9-14(19)4-5-15(12)21-16(22)10-25-17(23)3-2-7-20-18(24)13-6-8-26-11-13/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,20,24)(H,21,22)