methyl (2R)-4-[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C18H24N2O3S/c1-12-10-14(13(2)20(12)15-5-6-15)4-7-17(21)19-8-9-24-16(11-19)18(22)23-3/h4,7,10,15-16H,5-6,8-9,11H2,1-3H3/b7-4+/t16-/m1/s1