ethyl 2,4-dimethyl-5-[2-[(2-nitrophenyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(2-nitrophenyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(2-nitroanilino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-(2-nitroanilino)-4H-1,3,4-thiadiazin-5-ylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(2-nitroanilino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(2-nitroanilino)-4H-1,3,4-thiadiazin-5-ylidene]pyrrole-3-carboxylic acid ethyl ester Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CSC(=NN2)NC3=CC=CC=C3[N+](=O)[O-])N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CSC(=NN2)NC3=CC=CC=C3[N+](=O)[O-])N=C1C)C

InChI

InChI=1S/C18H19N5O4S/c1-4-27-17(24)15-10(2)16(19-11(15)3)13-9-28-18(22-21-13)20-12-7-5-6-8-14(12)23(25)26/h5-8,21H,4,9H2,1-3H3,(H,20,22)