ethyl (E)-3-[4-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[oxo-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[(2S)-1-(2-thenoyl)prolyl]amino]phenyl]acrylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O4S/c1-2-27-19(24)12-9-15-7-10-16(11-8-15)22-20(25)17-5-3-13-23(17)21(26)18-6-4-14-28-18/h4,6-12,14,17H,2-3,5,13H2,1H3,(H,22,25)/b12-9+/t17-/m0/s1