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

Systemtic Name: methyl (2R)-4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17NO5S/c1-20-16(19)14-9-17(6-7-23-14)15(18)5-3-11-2-4-12-13(8-11)22-10-21-12/h2-5,8,14H,6-7,9-10H2,1H3/b5-3+/t14-/m1/s1