5-(cyclohex-3-en-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(cyclohex-3-en-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(cyclohex-3-en-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(1-cyclohex-3-enylmethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(cyclohex-3-en-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(cyclohex-3-en-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC(=O)N(C3=CC=CC=C3S2)CC4CCC=CC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CC(=O)N(C3=CC=CC=C3S2)CC4CCC=CC4

InChI

InChI=1S/C25H29NO4S/c1-28-20-13-18(14-21(29-2)25(20)30-3)23-15-24(27)26(16-17-9-5-4-6-10-17)19-11-7-8-12-22(19)31-23/h4-5,7-8,11-14,17,23H,6,9-10,15-16H2,1-3H3