ethyl 5-chloranyl-3-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethyl]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[2-[[(cyanoamino)-methyliminomethyl]amino]ethyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-[2-[(N-cyano-N'-methylcarbamimidoyl)amino]ethyl]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[2-[(N-cyano-N'-methyl-amidino)amino]ethyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CCNC(=NC)NC#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CCNC(=NC)NC#N

InChI

InChI=1S/C16H18ClN5O2/c1-3-24-15(23)14-11(6-7-20-16(19-2)21-9-18)12-8-10(17)4-5-13(12)22-14/h4-5,8,22H,3,6-7H2,1-2H3,(H2,19,20,21)