ethyl 4-[5-[[(E)-4-pyrrolidin-3-ylbut-2-enoyl]amino]thiophen-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[[(E)-4-pyrrolidin-3-ylbut-2-enoyl]amino]thiophen-2-yl]benzoate Openeye Name: ethyl 4-[5-[[(E)-4-pyrrolidin-3-ylbut-2-enoyl]amino]-2-thienyl]benzoate CAS Name: 4-[5-[[(E)-1-oxo-4-(3-pyrrolidinyl)but-2-enyl]amino]-2-thiophenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[(E)-4-pyrrolidin-3-ylbut-2-enoyl]amino]thiophen-2-yl]benzoate Traditional Name: 4-[5-[[(E)-4-pyrrolidin-3-ylbut-2-enoyl]amino]-2-thienyl]benzoic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(S2)NC(=O)C=CCC3CCNC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(S2)NC(=O)/C=C/CC3CCNC3

InChI

InChI=1S/C21H24N2O3S/c1-2-26-21(25)17-8-6-16(7-9-17)18-10-11-20(27-18)23-19(24)5-3-4-15-12-13-22-14-15/h3,5-11,15,22H,2,4,12-14H2,1H3,(H,23,24)/b5-3+