ethyl 2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-oxochromene-3-carbonyl)amino]-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-oxochromene-3-carbonyl)amino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-ketochromene-3-carbonyl)amino]-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H21NO5S/c1-2-26-21(25)17-13-8-4-6-10-16(13)28-19(17)22-18(23)14-11-12-7-3-5-9-15(12)27-20(14)24/h3,5,7,9,11,13,16H,2,4,6,8,10H2,1H3,(H,22,23)