methyl 3-pyrrol-1-yl-4-thiomorpholin-4-yl-benzoate

Systemtic Name: methyl 3-pyrrol-1-yl-4-thiomorpholin-4-yl-benzoate Openeye Name: methyl 3-pyrrol-1-yl-4-thiomorpholino-benzoate CAS Name: 3-(1-pyrrolyl)-4-thiomorpholin-4-ylbenzoic acid methyl ester IUPAC Name: methyl 3-pyrrol-1-yl-4-thiomorpholin-4-ylbenzoate Traditional Name: 3-pyrrol-1-yl-4-thiomorpholino-benzoic acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCSCC2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCSCC2)N3C=CC=C3

InChI

InChI=1S/C16H18N2O2S/c1-20-16(19)13-4-5-14(18-8-10-21-11-9-18)15(12-13)17-6-2-3-7-17/h2-7,12H,8-11H2,1H3