ethyl 3-azanyl-3-oxidanylidene-2-[(2Z)-2-phenacylidene-1,4-benzothiazin-3-yl]propanoate

Systemtic Name: ethyl 3-azanyl-3-oxidanylidene-2-[(2Z)-2-phenacylidene-1,4-benzothiazin-3-yl]propanoate Openeye Name: ethyl 3-amino-3-oxo-2-[(2Z)-2-phenacylidene-1,4-benzothiazin-3-yl]propanoate CAS Name: 3-amino-3-oxo-2-[(2Z)-2-phenacylidene-1,4-benzothiazin-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-amino-3-oxo-2-[(2Z)-2-phenacylidene-1,4-benzothiazin-3-yl]propanoate Traditional Name: 3-amino-3-keto-2-[(2Z)-2-phenacylidene-1,4-benzothiazin-3-yl]propionic acid ethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC2=CC=CC=C2SC1=CC(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCOC(=O)C(C\1=NC2=CC=CC=C2S/C1=C\C(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H18N2O4S/c1-2-27-21(26)18(20(22)25)19-17(12-15(24)13-8-4-3-5-9-13)28-16-11-7-6-10-14(16)23-19/h3-12,18H,2H2,1H3,(H2,22,25)/b17-12-