2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-(quinolin-6-ylmethylamino)prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-(quinolin-6-ylmethylamino)prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-(6-quinolylmethylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-(6-quinolinylmethylamino)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-(quinolin-6-ylmethylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-(6-quinolylmethylamino)acrylic acid 2-ethoxyethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NCC1=CC2=C(C=C1)N=CC=C2)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NCC1=CC2=C(C=C1)N=CC=C2)/SC)/C#N

InChI

InChI=1S/C19H21N3O3S/c1-3-24-9-10-25-19(23)16(12-20)18(26-2)22-13-14-6-7-17-15(11-14)5-4-8-21-17/h4-8,11,22H,3,9-10,13H2,1-2H3/b18-16+