3-chloranyl-2-[(4-ethoxy-2-nitro-phenyl)amino]thiochromen-4-one

Systemtic Name: 3-chloranyl-2-[(4-ethoxy-2-nitro-phenyl)amino]thiochromen-4-one Openeye Name: 3-chloro-2-(4-ethoxy-2-nitro-anilino)thiochromen-4-one CAS Name: 3-chloro-2-(4-ethoxy-2-nitroanilino)-1-benzothiopyran-4-one IUPAC Name: 3-chloro-2-(4-ethoxy-2-nitroanilino)thiochromen-4-one Traditional Name: 3-chloro-2-(4-ethoxy-2-nitro-anilino)thiochromen-4-one Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O4S/c1-2-24-10-7-8-12(13(9-10)20(22)23)19-17-15(18)16(21)11-5-3-4-6-14(11)25-17/h3-9,19H,2H2,1H3