ethyl (E,4S)-7-azanyl-4-[(3-bromophenyl)carbonylamino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E,4S)-7-azanyl-4-[(3-bromophenyl)carbonylamino]-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E,4S)-7-amino-4-[(3-bromobenzoyl)amino]-7-oxo-hept-2-enoate CAS Name: (E,4S)-7-amino-4-[[(3-bromophenyl)-oxomethyl]amino]-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-amino-4-[(3-bromobenzoyl)amino]-7-oxohept-2-enoate Traditional Name: (E,4S)-7-amino-4-[(3-bromobenzoyl)amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C16H19BrN2O4 MolecularWeight: 383.23706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C16H19BrN2O4/c1-2-23-15(21)9-7-13(6-8-14(18)20)19-16(22)11-4-3-5-12(17)10-11/h3-5,7,9-10,13H,2,6,8H2,1H3,(H2,18,20)(H,19,22)/b9-7+/t13-/m0/s1