methyl 2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-oxochromene-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-oxochromene-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-ketochromene-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H21NO5S/c1-31-26(30)22-18-12-11-16(15-7-3-2-4-8-15)14-21(18)33-24(22)27-23(28)19-13-17-9-5-6-10-20(17)32-25(19)29/h2-10,13,16H,11-12,14H2,1H3,(H,27,28)