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

Systemtic Name: ethyl 6-methyl-2-(9H-xanthen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo(9H-xanthen-9-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H25NO4S/c1-3-30-26(29)23-18-13-12-15(2)14-21(18)32-25(23)27-24(28)22-16-8-4-6-10-19(16)31-20-11-7-5-9-17(20)22/h4-11,15,22H,3,12-14H2,1-2H3,(H,27,28)