ethyl 2-[6-isocyano-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate

Systemtic Name: ethyl 2-[6-isocyano-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate Openeye Name: ethyl 2-[6-isocyano-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetate CAS Name: 2-[6-isocyano-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-isocyano-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetate Traditional Name: 2-(6-isocyano-3-keto-2-p-anisyl-1,4-benzothiazin-4-yl)acetic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+]#[C-])SC(C1=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+]#[C-])SC(C1=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O4S/c1-4-27-20(24)13-23-17-12-15(22-2)7-10-18(17)28-19(21(23)25)11-14-5-8-16(26-3)9-6-14/h5-10,12,19H,4,11,13H2,1,3H3