N-[3-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[3-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-[2-(ethylamino)-2-oxo-ethoxy]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-[2-(ethylamino)-2-keto-ethoxy]phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCNC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H21N3O4S/c1-2-21-19(25)12-27-15-5-3-4-14(11-15)22-20(26)13-6-7-17-16(10-13)23-18(24)8-9-28-17/h3-7,10-11H,2,8-9,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)