ethyl 4-[2-(5-methoxyisoquinolin-1-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-methoxyisoquinolin-1-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(5-methoxy-1-isoquinolyl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(5-methoxy-1-isoquinolinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-methoxyisoquinolin-1-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-methoxy-1-isoquinolyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CC3=C2C=CC=C3OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CC3=C2C=CC=C3OC

InChI

InChI=1S/C19H23N3O4S/c1-3-26-19(24)22-11-9-21(10-12-22)17(23)13-27-18-15-5-4-6-16(25-2)14(15)7-8-20-18/h4-8H,3,9-13H2,1-2H3