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

Systemtic Name: 5-ethyl-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid Openeye Name: 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid CAS Name: 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; 1-naphthalenesulfonic acid IUPAC Name: 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid Traditional Name: 5-ethyl-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one; naphthalene-1-sulfonic acid Formula: C28H27NO6S2 MolecularWeight: 537.64708

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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=C2C(=C1)C=CC=C2S(=O)(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C18H19NO3S.C10H8O3S/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;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h4-11,16-17,20H,3H2,1-2H3;1-7H,(H,11,12,13)