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

Systemtic Name: propan-2-yl 2-(9H-xanthen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-15(2)30-26(29)23-18-11-5-8-14-21(18)32-25(23)27-24(28)22-16-9-3-6-12-19(16)31-20-13-7-4-10-17(20)22/h3-4,6-7,9-10,12-13,15,22H,5,8,11,14H2,1-2H3,(H,27,28)