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

Systemtic Name: methyl 2-[(7-ethoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(7-ethoxy-2-oxo-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-ethoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(7-ethoxy-2-keto-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H21NO6S/c1-3-28-13-9-8-12-10-15(21(25)29-16(12)11-13)19(24)23-20-18(22(26)27-2)14-6-4-5-7-17(14)30-20/h8-11H,3-7H2,1-2H3,(H,23,24)