ethyl 2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methoxy-3-oxo-propanoyl)amino]-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-methoxy-1,3-dioxopropyl)amino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methoxy-3-oxopropanoyl)amino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-keto-3-methoxy-propanoyl)amino]-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)CC(=O)OC

InChI

InChI=1S/C15H21NO5S/c1-3-21-15(19)13-9-6-4-5-7-10(9)22-14(13)16-11(17)8-12(18)20-2/h9-10H,3-8H2,1-2H3,(H,16,17)