ethyl 2-[(3S)-3-azanyl-8-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-3-azanyl-8-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[(3S)-3-amino-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(3S)-3-amino-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-3-amino-8-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(3S)-3-amino-4-keto-8-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C)SCC(C1=O)N

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC[C@H](C1=O)N

InChI

InChI=1S/C14H18N2O3S/c1-3-19-13(17)7-16-11-5-4-9(2)6-12(11)20-8-10(15)14(16)18/h4-6,10H,3,7-8,15H2,1-2H3/t10-/m1/s1