ethyl (E,4S)-7-azanyl-7-oxidanylidene-4-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]hept-2-enoate

Systemtic Name: ethyl (E,4S)-7-azanyl-7-oxidanylidene-4-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]hept-2-enoate Openeye Name: ethyl (E,4S)-7-amino-7-oxo-4-[[(E)-3-(2-quinolyl)prop-2-enoyl]amino]hept-2-enoate CAS Name: (E,4S)-7-amino-7-oxo-4-[[(E)-1-oxo-3-(2-quinolinyl)prop-2-enyl]amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-amino-7-oxo-4-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]hept-2-enoate Traditional Name: (E,4S)-7-amino-7-keto-4-[[(E)-3-(2-quinolyl)acryloyl]amino]hept-2-enoic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C=CC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)/C=C/C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H23N3O4/c1-2-28-21(27)14-11-17(9-12-19(22)25)24-20(26)13-10-16-8-7-15-5-3-4-6-18(15)23-16/h3-8,10-11,13-14,17H,2,9,12H2,1H3,(H2,22,25)(H,24,26)/b13-10+,14-11+/t17-/m0/s1