(2R)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate

Systemtic Name: (2R)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Openeye Name: (2R)-2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate CAS Name: (2R)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]butanoate IUPAC Name: (2R)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]butyrate Formula: C17H16N3O3S- MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

InChI

InChI=1S/C17H17N3O3S/c1-3-9-20-15(21)14-13(10-7-5-6-8-11(10)18-14)19-17(20)24-12(4-2)16(22)23/h3,5-8,12,18H,1,4,9H2,2H3,(H,22,23)/p-1/t12-/m1/s1