3-azanyl-4-oxidanyl-benzenesulfonic acid; 5-ethyl-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 3-azanyl-4-oxidanyl-benzenesulfonic acid; 5-ethyl-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 3-amino-4-hydroxy-benzenesulfonic acid; 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 3-amino-4-hydroxybenzenesulfonic acid; 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 3-amino-4-hydroxybenzenesulfonic acid; 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 3-amino-4-hydroxy-besylic acid; 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C24H26N2O7S2 MolecularWeight: 518.60244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.C1=CC(=C(C=C1S(=O)(=O)O)N)O

Isomeric SMILES

CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.C1=CC(=C(C=C1S(=O)(=O)O)N)O

InChI

InChI=1S/C18H19NO3S.C6H7NO4S/c1-3-19-14-6-4-5-7-15(14)23-17(16(20)18(19)21)12-8-10-13(22-2)11-9-12;7-5-3-4(12(9,10)11)1-2-6(5)8/h4-11,16-17,20H,3H2,1-2H3;1-3,8H,7H2,(H,9,10,11)