ethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6a,10a-dihydroimidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6a,10a-dihydroimidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-(2-amino-2-oxo-ethyl)sulfanyl-6a,10a-dihydroimidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-6a,10a-dihydroimidazo[2,1-a]isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6a,10a-dihydroimidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-6a,10a-dihydroimidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C=CC3C2C=CC=C3)SCC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C=CC3C2C=CC=C3)SCC(=O)N

InChI

InChI=1S/C16H17N3O3S/c1-2-22-16(21)13-15(23-9-12(17)20)18-14-11-6-4-3-5-10(11)7-8-19(13)14/h3-8,10-11H,2,9H2,1H3,(H2,17,20)