ethyl 2-[2-[2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]ethanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]ethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-[(3-allyl-4-amino-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(3-allyl-4-amino-6-keto-1H-pyrimidin-3-ium-2-yl)thio]acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C16H20N5O4S2+ MolecularWeight: 410.4911

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=[N+](C(=CC(=O)N2)N)CC=C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=[N+](C(=CC(=O)N2)N)CC=C

InChI

InChI=1S/C16H19N5O4S2/c1-3-5-21-11(17)7-12(22)20-16(21)27-9-13(23)19-15-18-10(8-26-15)6-14(24)25-4-2/h3,7-8H,1,4-6,9H2,2H3,(H3,17,18,19,22,23)/p+1