(2S)-2-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-3-phenyl-propionate Formula: C26H22N3O4S2- MolecularWeight: 504.60058

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-])SC=C2C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S2/c1-2-13-29-24(31)22-19(18-11-7-4-8-12-18)15-34-23(22)28-26(29)35-16-21(30)27-20(25(32)33)14-17-9-5-3-6-10-17/h2-12,15,20H,1,13-14,16H2,(H,27,30)(H,32,33)/p-1/t20-/m0/s1