ethyl 4-[2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O4S/c1-3-9-27-20(29)19-18(15-7-5-6-8-16(15)23-19)24-21(27)32-14-17(28)25-10-12-26(13-11-25)22(30)31-4-2/h3,5-8,23H,1,4,9-14H2,2H3