N-(3,4-dipropoxyphenyl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-(3,4-dipropoxyphenyl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-(3,4-dipropoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-(3,4-dipropoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-(3,4-dipropoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: N-(3,4-dipropoxyphenyl)-2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2)OCCC

InChI

InChI=1S/C22H26N2O4S/c1-3-11-27-17-10-9-15(13-18(17)28-12-4-2)23-21(25)14-20-22(26)24-16-7-5-6-8-19(16)29-20/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)/t20-/m0/s1