ethyl 7-oxidanylidene-2-[2-(prop-2-enylamino)ethanoylamino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 7-oxidanylidene-2-[2-(prop-2-enylamino)ethanoylamino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(allylamino)acetyl]amino]-7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 7-oxo-2-[[1-oxo-2-(prop-2-enylamino)ethyl]amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-2-[[2-(prop-2-enylamino)acetyl]amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(allylamino)acetyl]amino]-7-keto-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CNCC=C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)CNCC=C

InChI

InChI=1S/C16H20N2O4S/c1-3-8-17-9-12(20)18-15-13(16(21)22-4-2)10-6-5-7-11(19)14(10)23-15/h3,17H,1,4-9H2,2H3,(H,18,20)