6-ethyl-2-(4-methoxyphenyl)-5-(methylamino)-3-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 6-ethyl-2-(4-methoxyphenyl)-5-(methylamino)-3-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 6-ethyl-3-isopropyl-2-(4-methoxyphenyl)-5-(methylamino)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 6-ethyl-2-(4-methoxyphenyl)-5-(methylamino)-3-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 6-ethyl-2-(4-methoxyphenyl)-5-(methylamino)-3-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 6-ethyl-3-isopropyl-2-(4-methoxyphenyl)-5-(methylamino)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(C(C(=O)N2NC)C(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(C(C(=O)N2NC)C(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O2S/c1-6-15-8-7-9-18-20(15)24(23-4)22(25)19(14(2)3)21(27-18)16-10-12-17(26-5)13-11-16/h7-14,19,21,23H,6H2,1-5H3