3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)propyl 4-methylbenzenesulfonate Openeye Name: 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)propyl ester IUPAC Name: 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)propyl ester Formula: C24H23NO3S2 MolecularWeight: 437.57432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN=C2C3=CC=CC=C3CSC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN=C2C3=CC=CC=C3CSC4=CC=CC=C42

InChI

InChI=1S/C24H23NO3S2/c1-18-11-13-20(14-12-18)30(26,27)28-16-6-15-25-24-21-8-3-2-7-19(21)17-29-23-10-5-4-9-22(23)24/h2-5,7-14H,6,15-17H2,1H3