2-[(E)-but-2-en-2-yl]-3-ethyl-8-methoxy-5-phenyl-3H-1,2-benzothiazepine

Systemtic Name: 2-[(E)-but-2-en-2-yl]-3-ethyl-8-methoxy-5-phenyl-3H-1,2-benzothiazepine Openeye Name: 3-ethyl-8-methoxy-2-[(E)-1-methylprop-1-enyl]-5-phenyl-3H-1,2-benzothiazepine CAS Name: 2-[(E)-but-2-en-2-yl]-3-ethyl-8-methoxy-5-phenyl-3H-1,2-benzothiazepine IUPAC Name: 2-[(E)-but-2-en-2-yl]-3-ethyl-8-methoxy-5-phenyl-3H-1,2-benzothiazepine Traditional Name: 3-ethyl-8-methoxy-2-[(E)-1-methylprop-1-enyl]-5-phenyl-3H-1,2-benzothiazepine Formula: C22H25NOS MolecularWeight: 351.505

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C2=C(C=C(C=C2)OC)SN1C(=CC)C)C3=CC=CC=C3

Isomeric SMILES

CCC1C=C(C2=C(C=C(C=C2)OC)SN1/C(=C/C)/C)C3=CC=CC=C3

InChI

InChI=1S/C22H25NOS/c1-5-16(3)23-18(6-2)14-21(17-10-8-7-9-11-17)20-13-12-19(24-4)15-22(20)25-23/h5,7-15,18H,6H2,1-4H3/b16-5+