methyl 2-(5-chloranylthiophen-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-(5-chloranylthiophen-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(5-chlorothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[(5-chloro-2-thiophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-chlorothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-(5-chlorothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC=C(S3)Cl)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC=C(S3)Cl)C=C1

InChI

InChI=1S/C16H14ClNO3S/c1-21-16(20)11-3-2-10-6-7-18(9-12(10)8-11)15(19)13-4-5-14(17)22-13/h2-5,8H,6-7,9H2,1H3