O-ethyl 4-(6-bromanyl-2-oxidanylidene-4-sulfanylidene-1,3-benzoxazin-3-yl)benzenecarbothioate

Systemtic Name: O-ethyl 4-(6-bromanyl-2-oxidanylidene-4-sulfanylidene-1,3-benzoxazin-3-yl)benzenecarbothioate Openeye Name: O-ethyl 4-(6-bromo-2-oxo-4-thioxo-1,3-benzoxazin-3-yl)benzenecarbothioate CAS Name: 4-(6-bromo-2-oxo-4-sulfanylidene-1,3-benzoxazin-3-yl)benzenecarbothioic acid O-ethyl ester IUPAC Name: O-ethyl 4-(6-bromo-2-oxo-4-sulfanylidene-1,3-benzoxazin-3-yl)benzenecarbothioate Traditional Name: 4-(6-bromo-2-keto-4-thioxo-1,3-benzoxazin-3-yl)thiobenzoic acid O-ethyl ester Formula: C17H12BrNO3S2 MolecularWeight: 422.31608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)C1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CCOC(=S)C1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C17H12BrNO3S2/c1-2-21-16(24)10-3-6-12(7-4-10)19-15(23)13-9-11(18)5-8-14(13)22-17(19)20/h3-9H,2H2,1H3