ethyl (E,4S)-7-azanyl-7-oxidanylidene-4-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]hept-2-enoate

Systemtic Name: ethyl (E,4S)-7-azanyl-7-oxidanylidene-4-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]hept-2-enoate Openeye Name: ethyl (E,4S)-7-amino-7-oxo-4-[(2-phenyltriazole-4-carbonyl)amino]hept-2-enoate CAS Name: (E,4S)-7-amino-7-oxo-4-[[oxo-(2-phenyl-4-triazolyl)methyl]amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-amino-7-oxo-4-[(2-phenyltriazole-4-carbonyl)amino]hept-2-enoate Traditional Name: (E,4S)-7-amino-7-keto-4-[(2-phenyltriazole-4-carbonyl)amino]hept-2-enoic acid ethyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C1=NN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)C1=NN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H21N5O4/c1-2-27-17(25)11-9-13(8-10-16(19)24)21-18(26)15-12-20-23(22-15)14-6-4-3-5-7-14/h3-7,9,11-13H,2,8,10H2,1H3,(H2,19,24)(H,21,26)/b11-9+/t13-/m0/s1