2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-bis(4-chloranylphenoxy)ethanoate

Systemtic Name: 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-bis(4-chloranylphenoxy)ethanoate Openeye Name: 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-bis(4-chlorophenoxy)acetate CAS Name: 2,2-bis(4-chlorophenoxy)acetic acid 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl ester IUPAC Name: 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-bis(4-chlorophenoxy)acetate Traditional Name: 2,2-bis(4-chlorophenoxy)acetic acid 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl ester Formula: C21H21Cl2NO4S MolecularWeight: 454.36674

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC=CCN1CCOC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CSC=CCN1CCOC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21Cl2NO4S/c22-16-2-6-18(7-3-16)27-21(28-19-8-4-17(23)5-9-19)20(25)26-13-11-24-10-1-14-29-15-12-24/h1-9,14,21H,10-13,15H2