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methyl 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2,3-bis(oxidanylidene)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate

methyl 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2,3-bis(oxidanylidene)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate

Systemtic Name:methyl 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2,3-bis(oxidanylidene)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate
Openeye Name:methyl 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2,3-dioxo-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate
CAS Name:4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2,3-dioxo-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylic acid methyl ester
IUPAC Name:methyl 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-2,3-dioxo-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate
Traditional Name:4-(4-chlorophenyl)-2,3-diketo-1-p-phenetyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylic acid methyl ester
Formula: C27H21ClN2O5S
MolecularWeight: 520.98404
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C(=O)OC)C5=CC=C(C=C5)Cl


Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C(=O)OC)C5=CC=C(C=C5)Cl


InChI

InChI=1S/C27H21ClN2O5S/c1-3-35-19-14-12-18(13-15-19)30-25(32)24(31)22-23(16-8-10-17(28)11-9-16)29-20-6-4-5-7-21(20)36-27(22,30)26(33)34-2/h4-15,29H,3H2,1-2H3


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