tert-butyl 7-[(5-chloranylthiophen-2-yl)carbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[(5-chloranylthiophen-2-yl)carbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[(5-chlorothiophene-2-carbonyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(5-chlorothiophene-2-carbonyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[(5-chlorothiophene-2-carbonyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-19(2,3)25-18(24)22-9-8-12-4-5-14(10-13(12)11-22)21-17(23)15-6-7-16(20)26-15/h4-7,10H,8-9,11H2,1-3H3,(H,21,23)