5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-3-oxidanyl-8-[(triphenylmethyl)oxymethyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-3-oxidanyl-8-[(triphenylmethyl)oxymethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(p-tolyl)-8-(trityloxymethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methylphenyl)-8-[(triphenylmethyl)oxymethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methylphenyl)-8-(trityloxymethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(p-tolyl)-8-(trityloxymethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C40H40N2O3S MolecularWeight: 628.8222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CCN(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CCN(C)C)O

InChI

InChI=1S/C40H40N2O3S/c1-29-19-22-31(23-20-29)38-37(43)39(44)42(26-25-41(2)3)35-24-21-30(27-36(35)46-38)28-45-40(32-13-7-4-8-14-32,33-15-9-5-10-16-33)34-17-11-6-12-18-34/h4-24,27,37-38,43H,25-26,28H2,1-3H3