1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(5-morpholinosulfonyl-2-thienyl)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(5-morpholinosulfonyl-2-thienyl)ethanone Formula: C19H22N2O4S3 MolecularWeight: 438.58398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H22N2O4S3/c22-18(21-8-3-13-26-17-5-2-1-4-16(17)21)14-15-6-7-19(27-15)28(23,24)20-9-11-25-12-10-20/h1-2,4-7H,3,8-14H2