ethyl 5-azanyl-4-cyano-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiophene-2-carboxylic acid ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H19N3O2S/c1-2-23-18(22)16-15(14(9-19)17(20)24-16)11-21-8-7-12-5-3-4-6-13(12)10-21/h3-6H,2,7-8,10-11,20H2,1H3