ethyl 2-(9H-xanthen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(9H-xanthen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(9H-xanthen-9-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H23NO4S/c1-2-29-25(28)22-17-11-5-8-14-20(17)31-24(22)26-23(27)21-15-9-3-6-12-18(15)30-19-13-7-4-10-16(19)21/h3-4,6-7,9-10,12-13,21H,2,5,8,11,14H2,1H3,(H,26,27)