3-ethyl-5-phenyl-3-prop-2-enyl-2H-1,2-benzothiazepine

Systemtic Name: 3-ethyl-5-phenyl-3-prop-2-enyl-2H-1,2-benzothiazepine Openeye Name: 3-allyl-3-ethyl-5-phenyl-2H-1,2-benzothiazepine CAS Name: 3-ethyl-5-phenyl-3-prop-2-enyl-2H-1,2-benzothiazepine IUPAC Name: 3-ethyl-5-phenyl-3-prop-2-enyl-2H-1,2-benzothiazepine Traditional Name: 3-allyl-3-ethyl-5-phenyl-2H-1,2-benzothiazepine Formula: C20H21NS MolecularWeight: 307.45244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(C2=CC=CC=C2SN1)C3=CC=CC=C3)CC=C

Isomeric SMILES

CCC1(C=C(C2=CC=CC=C2SN1)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C20H21NS/c1-3-14-20(4-2)15-18(16-10-6-5-7-11-16)17-12-8-9-13-19(17)22-21-20/h3,5-13,15,21H,1,4,14H2,2H3