methyl 5-[(3-chloranyl-6H-benzo[b][1,4]benzothiazepin-5-yl)methyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(3-chloranyl-6H-benzo[b][1,4]benzothiazepin-5-yl)methyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(3-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)methyl]thiophene-2-carboxylate CAS Name: 5-[(3-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-[(3-chloro-6H-benzo[b][1,4]benzothiazepin-5-yl)methyl]thiophene-2-carboxylic acid methyl ester Formula: C20H16ClNO2S2 MolecularWeight: 401.92954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CN2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(S1)CN2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H16ClNO2S2/c1-24-20(23)19-9-7-15(25-19)12-22-11-13-4-2-3-5-17(13)26-18-8-6-14(21)10-16(18)22/h2-10H,11-12H2,1H3