methyl (3R)-2-[2-(5-chloranylthiophen-2-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(5-chloranylthiophen-2-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(5-chlorothiophene-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(5-chloro-2-thiophenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(5-chlorothiophene-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(5-chlorothiophene-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H16ClNO5S/c1-24-17(22)13-8-11-4-2-3-5-12(11)9-20(13)16(21)10-25-18(23)14-6-7-15(19)26-14/h2-7,13H,8-10H2,1H3/t13-/m1/s1