ethyl (E)-4-[(5-bromanyl-1H-indol-2-yl)carbonylamino]-5-(2-oxidanylidenepyrrolidin-3-yl)pent-2-enoate

Systemtic Name: ethyl (E)-4-[(5-bromanyl-1H-indol-2-yl)carbonylamino]-5-(2-oxidanylidenepyrrolidin-3-yl)pent-2-enoate Openeye Name: ethyl (E)-4-[(5-bromo-1H-indole-2-carbonyl)amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate CAS Name: (E)-4-[[(5-bromo-1H-indol-2-yl)-oxomethyl]amino]-5-(2-oxo-3-pyrrolidinyl)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(5-bromo-1H-indole-2-carbonyl)amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate Traditional Name: (E)-4-[(5-bromo-1H-indole-2-carbonyl)amino]-5-(2-ketopyrrolidin-3-yl)pent-2-enoic acid ethyl ester Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C2=CC3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CCOC(=O)/C=C/C(CC1CCNC1=O)NC(=O)C2=CC3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C20H22BrN3O4/c1-2-28-18(25)6-4-15(10-12-7-8-22-19(12)26)23-20(27)17-11-13-9-14(21)3-5-16(13)24-17/h3-6,9,11-12,15,24H,2,7-8,10H2,1H3,(H,22,26)(H,23,27)/b6-4+