methyl 3-azanyl-5-(3-chloranylthiophen-2-yl)-4-cyano-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-(3-chloranylthiophen-2-yl)-4-cyano-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate Openeye Name: methyl 3-amino-1-[2-(tert-butoxycarbonylamino)ethyl]-5-(3-chloro-2-thienyl)-4-cyano-pyrrole-2-carboxylate CAS Name: 3-amino-5-(3-chloro-2-thiophenyl)-4-cyano-1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(3-chlorothiophen-2-yl)-4-cyano-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrole-2-carboxylate Traditional Name: 3-amino-1-[2-(tert-butoxycarbonylamino)ethyl]-5-(3-chloro-2-thienyl)-4-cyano-pyrrole-2-carboxylic acid methyl ester Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C(=C(C(=C1C(=O)OC)N)C#N)C2=C(C=CS2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C(=C(C(=C1C(=O)OC)N)C#N)C2=C(C=CS2)Cl

InChI

InChI=1S/C18H21ClN4O4S/c1-18(2,3)27-17(25)22-6-7-23-13(15-11(19)5-8-28-15)10(9-20)12(21)14(23)16(24)26-4/h5,8H,6-7,21H2,1-4H3,(H,22,25)