3H-1,3-benzothiazol-2-ylidene-[(4S)-4-[(4-ethoxycarbonylphenyl)carbamoyl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]azanium

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-4-[(4-ethoxycarbonylphenyl)carbamoyl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-4-[(4-ethoxycarbonylphenyl)carbamoyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-4-[(4-ethoxycarbonylanilino)-oxomethyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-4-[(4-ethoxycarbonylphenyl)carbamoyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-4-[(4-carbethoxyphenyl)carbamoyl]-6-keto-4,5-dihydro-1H-pyrimidin-2-yl]ammonium Formula: C21H20N5O4S+ MolecularWeight: 438.4796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)[NH+]=C3NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)NC(=N2)[NH+]=C3NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5O4S/c1-2-30-19(29)12-7-9-13(10-8-12)22-18(28)15-11-17(27)25-20(23-15)26-21-24-14-5-3-4-6-16(14)31-21/h3-10,15H,2,11H2,1H3,(H,22,28)(H2,23,24,25,26,27)/p+1/t15-/m0/s1