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methyl 2-(9H-xanthen-9-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

methyl 2-(9H-xanthen-9-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name:methyl 2-(9H-xanthen-9-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Openeye Name:methyl 2-(9H-xanthene-9-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS Name:2-[[oxo(9H-xanthen-9-yl)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
IUPAC Name:methyl 2-(9H-xanthene-9-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Traditional Name:2-(9H-xanthene-9-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
Formula: C25H23NO4S
MolecularWeight: 433.51942
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35


Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35


InChI

InChI=1S/C25H23NO4S/c1-29-25(28)22-17-11-3-2-4-14-20(17)31-24(22)26-23(27)21-15-9-5-7-12-18(15)30-19-13-8-6-10-16(19)21/h5-10,12-13,21H,2-4,11,14H2,1H3,(H,26,27)


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