[5-(2-dimethylaminoethyl)-2-(4-methoxycyclohexa-1,3-dien-1-yl)-4-oxidanylidene-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxycyclohexa-1,3-dien-1-yl)-4-oxidanylidene-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxycyclohexa-1,3-dien-1-yl)-4-oxo-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-(2-dimethylaminoethyl)-2-(4-methoxy-1-cyclohexa-1,3-dienyl)-4-oxo-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxycyclohexa-1,3-dien-1-yl)-4-oxo-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxycyclohexa-1,3-dien-1-yl)-1,5-benzothiazepin-3-yl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(CC3)OC

Isomeric SMILES

CC(=O)OC1=C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(CC3)OC

InChI

InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-9,11H,10,12-14H2,1-4H3