methyl 2-[(6-ethyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-ethyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-ethyl-4-oxo-chromene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-ethyl-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-ethyl-4-oxochromene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-ethyl-4-keto-chromene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H21NO5S/c1-3-12-8-9-16-14(10-12)15(24)11-17(28-16)20(25)23-21-19(22(26)27-2)13-6-4-5-7-18(13)29-21/h8-11H,3-7H2,1-2H3,(H,23,25)