morpholine; (phenylmethyl) 5-cyano-2-methyl-4-(2H-pyrrol-2-yl)-6-sulfanyl-4H-thiopyran-3-carboxylate

Systemtic Name: morpholine; (phenylmethyl) 5-cyano-2-methyl-4-(2H-pyrrol-2-yl)-6-sulfanyl-4H-thiopyran-3-carboxylate Openeye Name: benzyl 5-cyano-2-methyl-4-(2H-pyrrol-2-yl)-6-sulfanyl-4H-thiopyran-3-carboxylate; morpholine CAS Name: 5-cyano-6-mercapto-2-methyl-4-(2H-pyrrol-2-yl)-4H-thiopyran-3-carboxylic acid (phenylmethyl) ester; morpholine IUPAC Name: benzyl 5-cyano-2-methyl-4-(2H-pyrrol-2-yl)-6-sulfanyl-4H-thiopyran-3-carboxylate; morpholine Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(2H-pyrrol-2-yl)-4H-thiopyran-3-carboxylic acid benzyl ester; morpholine Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(S1)S)C#N)C2C=CC=N2)C(=O)OCC3=CC=CC=C3.C1COCCN1

Isomeric SMILES

CC1=C(C(C(=C(S1)S)C#N)C2C=CC=N2)C(=O)OCC3=CC=CC=C3.C1COCCN1

InChI

InChI=1S/C19H16N2O2S2.C4H9NO/c1-12-16(18(22)23-11-13-6-3-2-4-7-13)17(15-8-5-9-21-15)14(10-20)19(24)25-12;1-3-6-4-2-5-1/h2-9,15,17,24H,11H2,1H3;5H,1-4H2