[(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-4-phenylbut-3-enoate

Systemtic Name: [(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-4-phenylbut-3-enoate Openeye Name: [(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-4-phenylbut-3-enoate CAS Name: (E)-4-phenyl-3-butenoic acid [(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] ester IUPAC Name: [(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] (E)-4-phenylbut-3-enoate Traditional Name: (E)-4-phenylbut-3-enoic acid [(Z)-3,4-dihydro-2H-1-benzothiepin-5-ylideneamino] ester Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NOC(=O)CC=CC2=CC=CC=C2)C3=CC=CC=C3SC1

Isomeric SMILES

C1C/C(=N/OC(=O)C/C=C/C2=CC=CC=C2)/C3=CC=CC=C3SC1

InChI

InChI=1S/C20H19NO2S/c22-20(14-6-10-16-8-2-1-3-9-16)23-21-18-12-7-15-24-19-13-5-4-11-17(18)19/h1-6,8-11,13H,7,12,14-15H2/b10-6+,21-18-