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

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2-phenyl-chromen-3-yl)oxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-oxo-2-phenyl-chromen-3-yl)oxybutanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-2-phenyl-1-benzopyran-3-yl)oxy]butyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-oxo-2-phenylchromen-3-yl)oxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-keto-2-phenyl-chromen-3-yl)oxybutanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H29NO6S MolecularWeight: 531.61936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C30H29NO6S/c1-3-21(28(33)31-29-24(30(34)35-4-2)20-15-9-11-17-23(20)38-29)36-27-25(32)19-14-8-10-16-22(19)37-26(27)18-12-6-5-7-13-18/h5-8,10,12-14,16,21H,3-4,9,11,15,17H2,1-2H3,(H,31,33)