[(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-5-oxidanylidene-1,4-thiazepan-6-yl] ethanoate

Systemtic Name: [(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-5-oxidanylidene-1,4-thiazepan-6-yl] ethanoate Openeye Name: [(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-5-oxo-1,4-thiazepan-6-yl] acetate CAS Name: acetic acid [(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-5-oxo-1,4-thiazepan-6-yl] ester IUPAC Name: [(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-5-oxo-1,4-thiazepan-6-yl] acetate Traditional Name: acetic acid [(6S,7S)-4-(2-dimethylaminoethyl)-5-keto-7-(4-methoxyphenyl)-1,4-thiazepan-6-yl] ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SCCN(C1=O)CCN(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](SCCN(C1=O)CCN(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H26N2O4S/c1-13(21)24-16-17(14-5-7-15(23-4)8-6-14)25-12-11-20(18(16)22)10-9-19(2)3/h5-8,16-17H,9-12H2,1-4H3/t16-,17+/m1/s1