ethyl 3-(1-benzothiophen-3-yl)-2-(hexanoylamino)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(1-benzothiophen-3-yl)-2-(hexanoylamino)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(benzothiophen-3-yl)-2-(hexanoylamino)-3-oxo-propanoate CAS Name: 3-(1-benzothiophen-3-yl)-3-oxo-2-(1-oxohexylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzothiophen-3-yl)-2-(hexanoylamino)-3-oxopropanoate Traditional Name: 3-(benzothiophen-3-yl)-2-(caproylamino)-3-keto-propionic acid ethyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C(=O)C1=CSC2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC(C(=O)C1=CSC2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C19H23NO4S/c1-3-5-6-11-16(21)20-17(19(23)24-4-2)18(22)14-12-25-15-10-8-7-9-13(14)15/h7-10,12,17H,3-6,11H2,1-2H3,(H,20,21)