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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC=CC2=CC=CC=C21.COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)O

Isomeric SMILES

CCOS(=O)(=O)C1=CC=CC2=CC=CC=C21.COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)O

InChI

InChI=1S/C16H15NO3S.C12H12O3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15;1-2-15-16(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h2-9,14-15,18H,1H3,(H,17,19);3-9H,2H2,1H3