(5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl N-(4-bromophenyl)carbamate

Systemtic Name: (5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl N-(4-bromophenyl)carbamate Openeye Name: (5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl N-(4-bromophenyl)carbamate CAS Name: N-(4-bromophenyl)carbamic acid (5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl ester IUPAC Name: (5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl N-(4-bromophenyl)carbamate Traditional Name: N-(4-bromophenyl)carbamic acid (5-keto-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl ester Formula: C18H16BrNO3S MolecularWeight: 406.29354

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C(=O)C1COC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CSC2=CC=CC=C2C(=O)C1COC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO3S/c19-13-5-7-14(8-6-13)20-18(22)23-11-12-9-10-24-16-4-2-1-3-15(16)17(12)21/h1-8,12H,9-11H2,(H,20,22)